Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003761
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article35 compound
IUPAC Name6-(2,6-dichlorophenyl)-8-methyl-2-[(pyridin-3-ylmethyl)amino]-7H,8H-pyrido[2,3-d]pyrimidin-7-one
FormulaC20H15Cl2N5O
Mass412.272
Exact Mass411.0653655
Composition C (58.27%), H (3.67%), Cl (17.2%), N (16.99%), O (3.88%)
Atom Count43
PI9.64
Smilesn1(c2nc(ncc2cc(c1=O)c1c(Cl)cccc1Cl)NCc1cnccc1)C
InChI1S/C20H15Cl2N5O/c1-27-18-13(8-14(19(27)28)17-15(21)5-2-6-16(17)22)11-25-20(26-18)24-10-12-4-3-7-23-9
-12/h2-9,11H,10H2,1H3,(H,24,25,26)
InChIKeyXHGSDPKRXJOFGF-UHFFFAOYSA-N
2D Structure
Structure Backbone
View Structure in JmolClick to view 3 d structure                            Download Mol File
Drug Like PropertyDruglikeliness
Symmetry & GeometrySymmetry And Geometrical Information
Activity & Binding Activity against isoform and covalant binding information
Topological PropertiesDescriptors
Reference9703473
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesFGFr | c-Src | PDGFr | ALL
Pub Chem Link 5327882
Drug Bank Link -
ChemSpider Link 4485052
ChEMBL Link CHEMBL110034
 
TOP